⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Urethane SCHEMBL43750 | 0.97 | — | — | |
| Urethane SCHEMBL43752 | 0.97 | — | — | |
| Urethane SCHEMBL11526596 | 0.97 | — | — | |
| Urethane SCHEMBL28213810 | 0.94 | — | — | |
| Urethane SCHEMBL2421998 | 0.94 | — | — | |
| Urethane SCHEMBL28003426 | 0.94 | — | — | |
| Urethane SCHEMBL4695346 | 0.94 | ALOX15 (0.88) | — | |
| Urethane SCHEMBL16987199 | 0.94 | — | — | |
| Urethane SCHEMBL7529471 | 0.94 | — | — | |
| Urethane SCHEMBL8830978 | 0.94 | ALOX15 (1.00) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116547332-A | Epoxy polysiloxane coating composition with polyurethane-metal or organic substance based curing system | PPG工业俄亥俄公司 | 2023-08-04 | — | — | CN | disclosed |